SCHEMBL6381047

SCHEMBL6381047

CCCCCCCOC[C@H]1OC(OC)[C@H](OCc2ccccc2)[C@@H](OCCC)[C@@H]1O

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SSTR4 P31391 8/20 0.65
▸ SSTR5 P35346 7/20 0.65
▸ SSTR1 P30872 6/20 0.65
▸ SSTR2 P30874 6/20 0.65
▸ SSTR3 P32745 6/20 0.65
▸ TACR1 P25103 4/20 0.52
▸ TNF P01375 1/20 0.49
▸ ADRB2 P07550 1/20 0.45
▸ BCHE P06276 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6385509 0.93 SSTR1 (0.55) SSTR4SSTR5SSTR1SSTR2SSTR3
SCHEMBL6380947 0.90 SSTR5 (0.52) SSTR4SSTR5SSTR1SSTR2SSTR3
SCHEMBL6380615 0.88 TNF (0.60) SSTR4SSTR5SSTR1SSTR2SSTR3
SCHEMBL6381530 0.85 SSTR5 (0.50) SSTR4SSTR5SSTR1SSTR2SSTR3
SCHEMBL6382242 0.85 SSTR5 (0.49) SSTR4SSTR5SSTR1SSTR2SSTR3
SCHEMBL13005380 0.85 SSTR5 (0.58) SSTR4SSTR5SSTR1SSTR2SSTR3
SCHEMBL13088352 0.85 SSTR5 (0.58) SSTR4SSTR5SSTR1SSTR2SSTR3
SCHEMBL4587088 0.85 SSTR5 (0.58) SSTR4SSTR5SSTR1SSTR2SSTR3
SCHEMBL8992036 0.85 SSTR5 (0.58) SSTR4SSTR5SSTR1SSTR2SSTR3
SCHEMBL12729388 0.85 SSTR5 (0.58) SSTR4SSTR5SSTR1SSTR2SSTR3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1001961-B1 SUBSTITUTED TETRAHYDROPYRANE DERIVATIVES AND METHOD FOR PRODUCING SAME AVENTIS PHARMA GMBH (DE) 2005-01-26 — — EP disclosed
US-6756489-B1 PROTECTED MONOSACCHARIDES HAVING AN ALLYL PROTECTING GROUP, A SILANE-PROTECTED HYDROXY GROUP AND A CARBOXY OR AMIDE CONTAINING PROTECTIVE GROUP; EASILY MADE BY COMBINATORIAL CHEMISTRY; APPLICATIONS TO AUTOIMMUNE AND CANCER AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-06-29 — — US disclosed
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